1-Methylindole

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  • Identifiers

    CAS number
    603-76-9

    Molecular formula
    C9H9N

    SMILES
    CN1C=CC2=CC=CC=C21

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 72.37%
    Animal 56.43%
    Sweet 55.88%
    Neroli 39.3%
    Fruity 39.15%
    Orange 37.13%
    Musty 35.21%
    Grape 33.76%
    Phenolic 32.49%
    Leathery 32.15%

     

    Flavor
    Fecal 37.68%
    Tobacco 35.2%
    Herbal 33.5%
    Animal 33.33%
    Musty 29.31%
    Civet 28.32%
    Earthy 27.84%
    Very strong 27.74%
    Indole 27.56%
    Nutty 27.09%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    5.42 (weak acid)

    Molecular weight
    131.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    247°C

    Flash point

    • 82.5 ˚C est.

  • Synonyms

    • 1-METHYLINDOLE
    • 1-Methyl-1H-indole
    • 603-76-9
    • N-Methylindole
    • 1H-Indole, 1-methyl-
    • Indole, 1-methyl-
    • 8H698ROJ5F
    • DTXSID3060534
    • NSC-212534
    • RefChem:76397
    • DTXCID5042792
    • 210-057-5
    • methylindole
    • N-methyl indole
    • MFCD00005800
    • NSC 212534
    • CHEMBL19912
    • 1-Methylindole (N-)
    • UNII-8H698ROJ5F
    • N-methylindol
    • 1-methyl indole
    • 1-methyl-indole
    • N- methyl indole
    • EINECS 210-057-5
    • Ramosetron Impurity 19
    • 1-Methylindole, >=97%
    • SCHEMBL29812
    • SCHEMBL137023
    • SCHEMBL193935
    • SCHEMBL443607
    • SCHEMBL686703
    • SCHEMBL689746
    • orb3027212
    • SCHEMBL1419206
    • SCHEMBL1450364
    • SCHEMBL2378376
    • SCHEMBL29384135
    • HY-Y1162
    • BBL100303
    • BDBM50098763
    • NSC212534
    • STL553897
    • AKOS005198531
    • CS-W008981
    • EBC-152122
    • FM11783
    • PB48626
    • AC-19059
    • AS-11848
    • DB-011620
    • M0561
    • NS00034347
    • ST51023429
    • EN300-21605
    • F11257
    • F208790
    • doi:10.14272/BLRHMMGNCXNXJL-UHFFFAOYSA-N.1
    • Q4545796
    • 1-Methyl-1H-indole; N-Methylindole; NSC 212534;
    • F0001-1582
    • Z104504048
    • InChI=1/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H
    • 603-76-9

  • Applications

    1-Methylindole (N-methylindole) is used as an intermediate in the synthesis of indole-based derivatives for pharmaceutical and agrochemical applications; serves as a fragrance intermediate or odorant component in perfumery, contributing to indole-containing scent profiles; acts as a precursor for the synthesis of indole-derived dyes and pigments in chemical manufacturing; used as a building block for the preparation of functionally substituted indoles in research and development; and may participate as a precursor in polymer or material applications involving indole-containing architectures.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 374.97
    methanol 423.38
    isopropanol 249.8
    water 12.26
    ethyl acetate 308.76
    n-propanol 321.68
    acetone 382.79
    n-butanol 318.66
    acetonitrile 373.56
    DMF 370.71
    toluene 218.1
    isobutanol 259.27
    1,4-dioxane 823.07
    methyl acetate 279.84
    THF 796.08
    2-butanone 302.71
    n-pentanol 251.69
    sec-butanol 251.49
    n-hexane 111.43
    ethylene glycol 126.37
    NMP 318.21
    cyclohexane 101.3
    DMSO 410.34
    n-butyl acetate 200.06
    n-octanol 126.05
    chloroform 991.71
    n-propyl acetate 196.33
    acetic acid 260.27
    dichloromethane 986.97
    cyclohexanone 394.54
    propylene glycol 101.29
    isopropyl acetate 175.81
    DMAc 242.64
    2-ethoxyethanol 348.48
    isopentanol 244.72
    n-heptane 71.62
    ethyl formate 208.18
    1,2-dichloroethane 548.3
    n-hexanol 254.49
    2-methoxyethanol 452.07
    isobutyl acetate 161.64
    tetrachloromethane 285.84
    n-pentyl acetate 140.84
    transcutol 642.95
    n-heptanol 125.72
    ethylbenzene 116.92
    MIBK 189.99
    2-propoxyethanol 371.16
    tert-butanol 263.59
    MTBE 270.57
    2-butoxyethanol 206.9
    propionic acid 213.98
    o-xylene 128.25
    formic acid 141.12
    diethyl ether 443.63
    m-xylene 141.22
    p-xylene 143.26
    chlorobenzene 251.99
    dimethyl carbonate 144.92
    n-octane 37.53
    formamide 195.45
    cyclopentanone 466.21
    2-pentanone 272.67
    anisole 239.61
    cyclopentyl methyl ether 378.69
    gamma-butyrolactone 499.91
    1-methoxy-2-propanol 293.32
    pyridine 425.86
    3-pentanone 236.24
    furfural 377.89
    n-dodecane 26.28
    diethylene glycol 292.8
    diisopropyl ether 140.44
    tert-amyl alcohol 233.42
    acetylacetone 260.13
    n-hexadecane 29.04
    acetophenone 170.27
    methyl propionate 241.31
    isopentyl acetate 185.9
    trichloroethylene 766.63
    n-nonanol 113.14
    cyclohexanol 227.16
    benzyl alcohol 164.66
    2-ethylhexanol 150.88
    isooctanol 109.88
    dipropyl ether 223.37
    1,2-dichlorobenzene 216.18
    ethyl lactate 102.3
    propylene carbonate 244.94
    n-methylformamide 243.81
    2-pentanol 218.99
    n-pentane 100.5
    1-propoxy-2-propanol 220.39
    1-methoxy-2-propyl acetate 178.9
    2-(2-methoxypropoxy) propanol 175.84
    mesitylene 100.31
    ε-caprolactone 306.5
    p-cymene 76.1
    epichlorohydrin 651.57
    1,1,1-trichloroethane 502.43
    2-aminoethanol 193.6
    morpholine-4-carbaldehyde 415.06
    sulfolane 458.63
    2,2,4-trimethylpentane 47.32
    2-methyltetrahydrofuran 570.57
    n-hexyl acetate 189.7
    isooctane 40.18
    2-(2-butoxyethoxy)ethanol 246.33
    sec-butyl acetate 144.59
    tert-butyl acetate 184.84
    decalin 56.7
    glycerin 155.33
    diglyme 405.73
    acrylic acid 180.98
    isopropyl myristate 96.03
    n-butyric acid 274.35
    acetyl acetate 163.52
    di(2-ethylhexyl) phthalate 79.91
    ethyl propionate 182.54
    nitromethane 396.23
    1,2-diethoxyethane 307.35
    benzonitrile 179.63
    trioctyl phosphate 62.12
    1-bromopropane 378.06
    gamma-valerolactone 474.78
    n-decanol 90.15
    triethyl phosphate 88.21
    4-methyl-2-pentanol 132.58
    propionitrile 290.81
    vinylene carbonate 242.62
    1,1,2-trichlorotrifluoroethane 288.43
    DMS 165.68
    cumene 94.22
    2-octanol 94.36
    2-hexanone 202.35
    octyl acetate 111.05
    limonene 106.08
    1,2-dimethoxyethane 503.53
    ethyl orthosilicate 89.64
    tributyl phosphate 76.28
    diacetone alcohol 188.36
    N,N-dimethylaniline 154.4
    acrylonitrile 305.92
    aniline 232.22
    1,3-propanediol 248.62
    bromobenzene 270.77
    dibromomethane 653.71
    1,1,2,2-tetrachloroethane 553.57
    2-methyl-cyclohexyl acetate 130.23
    tetrabutyl urea 91.95
    diisobutyl methanol 92.42
    2-phenylethanol 161.76
    styrene 143.58
    dioctyl adipate 113.49
    dimethyl sulfate 178.91
    ethyl butyrate 160.59
    methyl lactate 114.98
    butyl lactate 97.21
    diethyl carbonate 113.55
    propanediol butyl ether 135.36
    triethyl orthoformate 115.28
    p-tert-butyltoluene 73.95
    methyl 4-tert-butylbenzoate 143.94
    morpholine 638.48
    tert-butylamine 218.82
    n-dodecanol 74.78
    dimethoxymethane 373.9
    ethylene carbonate 222.76
    cyrene 167.26
    2-ethoxyethyl acetate 195.31
    2-ethylhexyl acetate 153.45
    1,2,4-trichlorobenzene 231.32
    4-methylpyridine 350.28
    dibutyl ether 182.05
    2,6-dimethyl-4-heptanol 92.42
    DEF 268.01
    dimethyl isosorbide 266.48
    tetrachloroethylene 421.52
    eugenol 157.33
    triacetin 150.1
    span 80 140.34
    1,4-butanediol 142.35
    1,1-dichloroethane 519.08
    2-methyl-1-pentanol 217.55
    methyl formate 201.5
    2-methyl-1-butanol 252.83
    n-decane 41.97
    butyronitrile 286.12
    3,7-dimethyl-1-octanol 121.96
    1-chlorooctane 119.92
    1-chlorotetradecane 54.66
    n-nonane 45.02
    undecane 31.86
    tert-butylcyclohexane 57.63
    cyclooctane 47.58
    cyclopentanol 251.4
    tetrahydropyran 572.39
    tert-amyl methyl ether 211.3
    2,5,8-trioxanonane 283.02
    1-hexene 223.8
    2-isopropoxyethanol 257.13
    2,2,2-trifluoroethanol 136.86
    methyl butyrate 214.93

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction